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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195501

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1195501
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 62
  • Number of elements: 4
  • Element list: ['Ce', 'Cu', 'P', 'O']
  • Chemical System: Ce-Cu-O-P
  • Density: 3.6120195310986607
  • Atomic Density: 0.0709580453361405
  • Unit Cell Volume: 873.755748291759
  • Molar Volume: 8.486903396890488
  • Full Formula: Ce2 Cu12 P6 O42
  • Reduced Formula: CeCu6(PO7)3
  • Formula Anonymous: AB3C6D21
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -374.07338523
  • Final energy per atom: -6.0334416972580645
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.